0 B8R1.18 C1=C(C(=O)OC1=O)Br B194099 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=C(C=C(S1)Br)Br D155848 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.18 CC1=C(OC(=N1)Br)C B586742 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CC1=C(OC(=O)O1)C D134948 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 CC1=C(SC(=N1)C)C T161779 [0,0,0,0,0,0|2,1,1]=4 5 B8R1.18 CC1=CC(=C(O1)C)S D103074 [0,0,0,0,0,0|0,1,1]=2 6 B8R1.18 CC1=CC(=C(S1)C)C T162829 [0,0,0,0,0,0|1,1,1]=3 7 B8R1.18 CC1=CC(=NN1C)C T108006 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.18 CC1=CC(=NN1C)N D183931 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.18 CC1=CC(=O)OC1=O C106959 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.18 CC1=NN(C(=C1)Br)C B176832 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.18 CC1=NN(C(=C1)N)C W136575 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 CC1=NN(C(=O)C1)C D105385 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.18 CC1=NN(C=C1Br)C B176844 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.18 CC1=NN(C=C1Cl)C C480122 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.18 CC1C(=O)C=C(O1)C D102990 [0,0,0,0,0,0|0,0,0]=0 16 B8R1.18 CC1C(=O)OC(=O)N1 S303088 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.18 CC1CC(=O)OC1=O M102626 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.18 CN1C(=CC(=N1)Br)Br D587075 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.18 CN1C(=O)C=C(S1)Cl C183242 [0,0,0,0,0,0|2,1,0]=3 20 B8R1.18 CN1C(=O)C=C(S1)Cl M193940 [0,0,0,0,0,0|2,1,0]=3 21 B8R1.18 CN1CC(=O)NC1=O M158526 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 C1=C(NNC1=O)N A176721 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 C1=C(NNC1=O)N A192525 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.2 C1=C(OC(=C1)Br)Br D154954 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.2 C1=C(SNC1=O)Cl C588436 [1,0,0,0,0,0|2,1,0]=4 26 B7R1.2 C1=CC(=O)OC1=O M116389 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 C1=CC(=O)OC1=O M332470 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.2 C1=CC(=O)OC1=O P134891 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.2 C1=CC(=O)OC1=O P303284 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.2 C1=CC(=O)OC1=O P304899 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.2 C1=CC(=O)OC1=O P434514 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 C1=CC(=O)OC1=O P434525 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.2 C1=CC(=O)OC1=O P434526 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.2 C1=CC(=O)OC1=O P493757 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.2 C1=CC(=O)OC1O H302820 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.2 C1C(=CC(=O)O1)O T103765 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.2 C1C(=O)COC1=O T101326 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.2 C1C(=O)N=C(S1)N A168665 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.2 C1C(=O)N=C(S1)N A193919 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.2 C1C(=O)NC(=O)N1 H100923 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 C1C(=O)NC(=O)S1 T109725 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.2 C1C(=O)NC(=S)N1 T135932 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 C1C(=O)NC(=S)S1 R104132 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.2 C1C(=O)NC(=S)S1 R104133 [1,0,0,0,0,0|2,1,0]=4 45 B7R1.2 C1C(=O)OC(=O)N1 O132967 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.2 C1C(C=CC1=O)O H492879 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 C1CC(=O)CC1=O C138777 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.2 C1CC(=O)NC1=O S104077 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.2 C1CC(=O)NC1=O S104079 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 C1CC(=O)OC1=O S104823 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.2 C1CC(=O)OC1=O S104824 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.2 CC1=CC(=CN1)C D123132 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.2 CC1=CC(=CS1)Br B111413 [1,0,0,0,0,0|1,1,1]=4 54 B7R1.2 CC1=CC(=CS1)C D304246 [1,0,0,0,0,0|1,1,1]=4 55 B7R1.2 CC1=CC(=NN1)C D139167 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 CC1=CC(=NN1)N A151511 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 CC1=CC(=NO1)C D122898 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1=CC(=NO1)N A151654 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.2 CC1=CC(=O)NN1 M133849 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.2 CC1=CC(=O)NO1 BWY397355 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.2 CC1=CC(=O)NO1 BWY397369 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.2 CC1=CC(=O)NO1 BWY397380 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.2 CC1=CC(=O)NO1 H109938 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.2 CC1=CC(=O)NO1 H140830 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.2 CC1=CC(=O)OC1 M158202 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.2 CC1=CC=C(N1)C D113404 [1,0,0,0,0,0|1,0,1]=3 68 B7R1.2 CC1=CC=C(O1)C D113405 [1,0,0,0,0,0|0,0,1]=2 69 B7R1.2 CC1=CC=C(S1)Br B101591 [1,0,0,0,0,0|1,1,1]=4 70 B7R1.2 CC1=CC=C(S1)C D155809 [1,0,0,0,0,0|0,1,1]=3 71 B7R1.2 CC1=CC=C(S1)Cl C153324 [1,0,0,0,0,0|1,1,1]=4 72 B7R1.2 CC1=CC=C(S1)I I101863 [1,0,0,0,0,0|1,1,1]=4 73 B7R1.2 CC1=CCC(=O)O1 A151155 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.2 CC1=CCC(=O)O1 A433012 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.2 CC1=CN=C(N1)C D139451 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.2 CC1=COC(=N1)C D139217 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.2 CC1=CSC(=C1)Br B153082 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.2 CC1=CSC(=N1)C D119299 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.2 CC1=NC(=NO1)N M170183 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.2 CC1=NN(C=C1)C D154769 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.2 CC1=NNC(=O)C1 M121614 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.2 CC1=NOC(=C1)N A151656 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 CC1=NSC(=C1)N A119078 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,0,0,0|1,0,2]=4 87 B7R1.2 CC1CCC(O1)C D155243 [1,0,0,0,0,0|0,0,3]=4 88 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.2 CC1COC(O1)C D404099 [1,0,0,0,0,0|1,0,2]=4 95 B7R1.2 CN1C=CC(=N1)Br B122406 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.2 CN1C=CC(=N1)I I195872 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.2 CN1C=CC(=N1)N A103123 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.2 CN1C=CC(=O)N1 M193770 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.2 CN1C=C[N+](=C1)C D120486 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.2 CN1C=C[N+](=C1)C D121202 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.2 CN1C=C[N+](=C1)C D154827 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.2 CN1C=C[N+](=C1)C D281641 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.2 CN1C=C[N+](=C1)C D303174 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.2 CN1C=C[N+](=C1)C D305047 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 CN1C=C[N+](=C1)C H302630 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,0,0,0|2,0,1]=4 107 B7R1.4 CC1=C(C=CO1)S M102912 [1,0,0,0,0,0|0,1,1]=3 108 B7R1.4 CC1=C(C=CS1)Br B183547 [1,0,0,0,0,0|1,1,1]=4 109 B7R1.4 CC1=C(SC=C1)C D135046 [1,0,0,0,0,0|1,1,1]=4 110 B7R1.4 CC1=CC=NN1C D154766 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.4 CC1C(=O)CCO1 M102944 [1,0,0,0,0,0|0,0,2]=3 112 B7R1.4 CC1C(=O)CCS1 M102985 [1,0,0,0,0,0|0,1,2]=4 113 B7R1.4 CC1CCCC1=O M138029 [1,0,0,0,0,0|1,0,2]=4 114 B7R1.4 CC1CCOC1=O A151225 [1,0,0,0,0,0|2,0,1]=4 115 B7R1.4 CN1C(=CC=N1)I I138694 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.4 CN1C(=CC=N1)N A180010 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.4 CN1C(=O)C=CN1 H133658 [1,0,0,0,0,0|2,0,0]=3 118 B7R1.4 CN1C(=O)C=CS1 M110103 [1,0,0,0,0,0|1,1,0]=3 119 B7R1.4 CN1C(=O)C=CS1 M132907 [1,0,0,0,0,0|1,1,0]=3 120 B7R1.4 CN1C(=O)CC=N1 M586169 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.22 CC1=CC(=C(N1)C)C=O D478848 [0,1,0,0,0,0|1,0,1]=3 122 B9R1.22 CC1=CC(=C(N1)C=O)C D155375 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.22 CC1=CC(=NN1CO)C D154762 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.22 CC1=NN(C(=C1)C=O)C D588409 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.22 CC1=NN(C(=C1)CCl)C C177652 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.22 CC1=NN(C=C1C=O)C D192302 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.22 CCC1C(=O)NC(=O)N1 E156340 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.37 CC1=C(C(=C(C1)C)C)C T170299 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.37 CC1=C(C(=NN1C)C)Br W131768 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.37 CC1=C(C(=NN1C)C)N A134908 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.37 CC1C(=C(C(=O)O1)O)C D120038 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.37 CC1C(=C(C(=O)O1)O)C D120039 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.37 CC1C(=C(C(=O)O1)O)C D120040 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.37 CC1C(=C(C(=O)O1)O)C D120041 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.37 CC1C(=O)C(=C(O1)C)O F118422 [0,1,0,0,0,0|0,0,0]=1 136 B9R1.37 CC1CC(C(=O)C1=O)C C304687 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.37 CC1CC(C(=O)C1=O)C D137771 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.38 CC1(C(=O)NC(=O)N1)C D137034 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.38 CC1(C(=O)NC(=O)O1)C D137001 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.38 CC1(C(=O)NC(=O)O1)C D425568 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.38 CC1(CC(=O)OC1=O)C D107597 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.38 CC1CC(=O)C(C1)(C)C T161555 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.2 CC(=CC(=O)OC)C M102001 [0,0,1,0,0,0|2,0,0]=3 144 B7R0.2 CC(=CC(=O)OC)N A102015 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.2 CC(=O)CC(=O)OC M108598 [0,0,1,0,0,0|1,0,2]=4 146 B7R0.2 CC(=O)CC(=O)OC M108599 [0,0,1,0,0,0|1,0,2]=4 147 B7R0.2 CC(=O)CC(=O)OC M108601 [0,0,1,0,0,0|1,0,2]=4 148 B7R0.2 CC(=O)NC(=O)NC A151230 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.2 CC(CC(=O)OC)O H124084 [0,0,1,0,0,0|1,0,2]=4 150 B7R0.2 CC(CC(=O)OC)O H124101 [0,0,1,0,0,0|1,0,2]=4 151 B7R0.2 CCC(=O)CC(=O)C H192611 [0,0,1,0,0,0|0,0,2]=3 152 B7R0.2 CCC(=O)CC(C)C E156458 [0,0,1,0,0,0|1,0,2]=4 153 B7R0.2 CCC(=O)OC(C)C I157496 [0,0,1,0,0,0|2,0,1]=4 154 B7R0.2 CCC(C)OC(=O)C B108576 [0,0,1,0,0,0|2,0,1]=4 155 B7R0.2 CCC(C)OC(=O)C B108578 [0,0,1,0,0,0|2,0,1]=4 156 B7R0.2 COC(=O)CC(=O)O M132669 [0,0,1,0,0,0|2,0,1]=4 157 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,0,1,0,0,0|1,0,1]=3 158 B7R0.5 CC(C(=O)O)NC=O N159048 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.5 CC(CC=C)C(=O)O M111848 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.5 CCCC(C)C(=O)C M158798 [0,0,1,0,0,0|1,0,2]=4 161 B7R0.5 CCCC(C)C(=O)O B300596 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.5 CCCC(C)C(=O)O M117868 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.5 CCCC(C)C(=O)O M427193 [0,0,1,0,0,0|2,0,1]=4 164 B7R0.5 CCOC(=O)C(C)Br E106089 [0,0,1,0,0,0|2,0,1]=4 165 B7R0.5 CCOC(=O)C(C)Br E400066 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.5 CCOC(=O)C(C)C E156123 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.5 CCOC(=O)C(C)F E135615 [0,0,1,0,0,0|2,0,1]=4 169 B7R0.5 CCOC(=O)C(C)I E156364 [0,0,1,0,0,0|2,0,1]=4 170 B7R0.5 CCOC(=O)C(C)N A109010 [0,0,1,0,0,0|2,0,1]=4 171 B7R0.5 CCOC(=O)C(C)N A117183 [0,0,1,0,0,0|2,0,1]=4 172 B7R0.5 CCOC(=O)C(C)N D304158 [0,0,1,0,0,0|2,0,1]=4 173 B7R0.5 CCOC(=O)C(C)O E104551 [0,0,1,0,0,0|1,0,1]=3 174 B7R0.5 CCOC(=O)C(C)O E104553 [0,0,1,0,0,0|1,0,1]=3 175 B7R0.5 CCOC(=O)C(C)O E104554 [0,0,1,0,0,0|1,0,1]=3 176 B7R0.5 CCOC(=O)C(C)O E108228 [0,0,1,0,0,0|1,0,1]=3 177 B7R0.5 CCOC(=O)C(C)O E108230 [0,0,1,0,0,0|1,0,1]=3 178 B7R0.5 CCOC(=O)C(C)O E465744 [0,0,1,0,0,0|1,0,1]=3 179 B7R0.5 CCOC(=O)C(C)S E156189 [0,0,1,0,0,0|1,1,1]=4 180 B7R0.5 CCSC(C)C(=O)O E168418 [0,0,1,0,0,0|1,1,1]=4 181 B7R0.7 CCOC(=O)C=CC E156252 [0,0,1,0,0,0|2,0,0]=3 182 B7R0.7 CCOC(=O)C=C[O-] E176875 [0,0,1,0,0,0|1,0,1]=3 183 B7R0.7 CCOC(=O)C=[N+]=[N-] E100922 [0,0,1,0,0,0|3,0,0]=4 184 B7R0.7 CCOC(=O)CC=C E587504 [0,0,1,0,0,0|2,0,1]=4 185 B9R2.25 C1C2C1C(=O)OC2=O O133889 [0,0,0,1,0,0|3,0,0]=4 186 B9R2.39 C1CC2CC1CC2=O N158897 [0,0,0,1,0,0|1,0,2]=4 187 B9R1.34 CC1=CC(=CC(=C1)Br)C B106980 [0,0,0,0,0,1|2,0,1]=4 188 B9R1.34 CC1=CC(=CC(=C1)C)C D124686 [0,0,0,0,0,1|2,0,1]=4 189 B9R1.34 CC1=CC(=CC(=C1)C)C M472043 [0,0,0,0,0,1|2,0,1]=4 190 B9R1.34 CC1=CC(=CC(=C1)C)C T105012 [0,0,0,0,0,1|2,0,1]=4 191 B9R1.34 CC1=CC(=CC(=C1)C)C T105015 [0,0,0,0,0,1|2,0,1]=4 192 B9R1.34 CC1=CC(=CC(=C1)C)C T123871 [0,0,0,0,0,1|2,0,1]=4 193 B9R1.34 CC1=CC(=CC(=C1)C)C T139982 [0,0,0,0,0,1|2,0,1]=4 194 B9R1.34 CC1=CC(=CC(=C1)C)C T140692 [0,0,0,0,0,1|2,0,1]=4 195 B9R1.34 CC1=CC(=CC(=C1)C)C T140693 [0,0,0,0,0,1|2,0,1]=4 196 B9R1.34 CC1=CC(=CC(=C1)F)C F122689 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.34 CC1=CC(=CC(=C1)I)C I123656 [0,0,0,0,0,1|2,0,1]=4 198 B9R1.34 CC1=CC(=CC(=C1)O)C D106360 [0,0,0,0,0,1|1,0,2]=4 199 B9R1.34 CC1=CC(=CC(=C1)O)C D106361 [0,0,0,0,0,1|1,0,2]=4 200 B9R1.34 CC1=CC(=CC(=C1)S)C D101802 [0,0,0,0,0,1|1,1,1]=4 201 B9R1.34 CC1=CC(=CC(=N1)C)Br W133463 [0,0,0,0,0,1|2,0,1]=4 202 B9R1.34 CC1=CC(=CC(=N1)C)Cl C183933 [0,0,0,0,0,1|2,0,1]=4 203 B9R1.34 CC1=CC(=CC(=N1)C)N A138719 [0,0,0,0,0,1|2,0,1]=4 204 B9R1.34 CC1=CC(=CC(=O)N1)O D154391 [0,0,0,0,0,1|2,0,1]=4 205 B9R1.34 CC1=CC(=CC(=O)O1)O H118325 [0,0,0,0,0,1|1,0,2]=4 206 B9R1.34 CC1=CC(=NC(=C1)Br)C B184756 [0,0,0,0,0,1|2,0,1]=4 207 B9R1.34 CC1=CC(=NC(=C1)C)C T108942 [0,0,0,0,0,1|2,0,1]=4 208 B9R1.34 CC1=CC(=NC(=C1)Cl)C C183580 [0,0,0,0,0,1|2,0,1]=4 209 B9R1.34 CC1=CC(=NC(=C1)N)C A123441 [0,0,0,0,0,1|2,0,1]=4 210 B9R1.34 CC1=CC(=NC(=N1)C)N A151326 [0,0,0,0,0,1|2,0,1]=4 211 B9R1.34 CC1=CC(=NC(=O)N1)C D136258 [0,0,0,0,0,1|2,0,1]=4 212 B9R1.34 CC1=CC(=NC(=O)N1)C D138006 [0,0,0,0,0,1|2,0,1]=4 213 B9R1.34 CC1=CC(=O)C=C(N1)C D138177 [0,0,0,0,0,1|1,0,1]=3 214 B9R1.34 CC1=CC(=O)C=C(O1)C D107654 [0,0,0,0,0,1|0,0,1]=2 215 B9R1.34 CC1=CC(=O)NC(=N1)C H139154 [0,0,0,0,0,1|1,0,1]=3 216 B9R1.34 CC1=CC(=O)NC(=N1)N A151322 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.34 CC1=CC(=O)NC(=O)N1 M112490 [0,0,0,0,0,1|2,0,1]=4 218 B9R1.34 CC1=CC(=O)NC(=S)N1 H109550 [0,0,0,0,0,1|2,0,1]=4 219 B9R1.34 CC1=CC(=O)NC(=S)N1 H109551 [0,0,0,0,0,1|2,0,1]=4 220 B9R1.34 CC1=CC(=O)NC(=S)N1 M304970 [0,0,0,0,0,1|2,0,1]=4 221 B9R1.34 CC1=CC(=O)NC(=S)N1 M408545 [0,0,0,0,0,1|2,0,1]=4 222 B9R1.34 CC1=CC(=[C-]C(=C1)C)C M466136 [0,0,0,0,0,1|2,0,1]=4 223 B9R1.34 CC1=CC(=[O+]C(=C1)C)C T162518 [0,0,0,0,0,1|1,0,2]=4 224 B9R1.34 CC1=NC(=CC(=O)N1)Cl C167948 [0,0,0,0,0,1|2,0,1]=4 225 B9R1.34 CC1=NC(=CC(=O)N1)N A151324 [0,0,0,0,0,1|2,0,1]=4 226 B9R1.34 CC1=NC(=CC(=O)N1)O D123504 [0,0,0,0,0,1|2,0,1]=4 227 B9R1.34 CC1=NC(=CC(=O)N1)O M190000 [0,0,0,0,0,1|2,0,1]=4 228 B9R1.34 CC1CC(=CC(=O)C1)C D338929 [0,0,0,0,0,1|1,0,0]=2 229 B9R1.34 CC1CC(=O)CC(=O)C1 M158841 [0,0,0,0,0,1|2,0,1]=4 230 B9R1.34 CC1CC(=O)OC(=O)C1 M158784 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.34 CC1CC(CC(=O)C1)C D138533 [0,0,0,0,0,1|1,0,2]=4 232 B9R1.34 Cc1cc(C)cc(O)c1 D117390 [0,0,0,0,0,1|1,0,2]=4 233 B9R1.69 CC1=CC(=C(C=C1)Br)C B101634 [0,0,0,0,0,1|2,0,1]=4 234 B9R1.69 CC1=CC(=C(C=C1)C)Br D107975 [0,0,0,0,0,1|2,0,1]=4 235 B9R1.69 CC1=CC(=C(C=C1)C)C T110885 [0,0,0,0,0,1|2,0,1]=4 236 B9R1.69 CC1=CC(=C(C=C1)C)C T110887 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.69 CC1=CC(=C(C=C1)C)C T110888 [0,0,0,0,0,1|2,0,1]=4 238 B9R1.69 CC1=CC(=C(C=C1)C)C T128160 [0,0,0,0,0,1|2,0,1]=4 239 B9R1.69 CC1=CC(=C(C=C1)C)Cl C122701 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.69 CC1=CC(=C(C=C1)C)F F186090 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.69 CC1=CC(=C(C=C1)C)N D106348 [0,0,0,0,0,1|2,0,1]=4 242 B9R1.69 CC1=CC(=C(C=C1)C)O D104331 [0,0,0,0,0,1|1,0,2]=4 243 B9R1.69 CC1=CC(=C(C=C1)C)O D104332 [0,0,0,0,0,1|1,0,2]=4 244 B9R1.69 CC1=CC(=C(C=C1)C)O D117388 [0,0,0,0,0,1|1,0,2]=4 245 B9R1.69 CC1=CC(=C(C=C1)C)S D101775 [0,0,0,0,0,1|1,1,1]=4 246 B9R1.69 CC1=CC(=C(C=C1)Cl)C C405487 [0,0,0,0,0,1|2,0,1]=4 247 B9R1.69 CC1=CC(=C(C=C1)I)C I157574 [0,0,0,0,0,1|2,0,1]=4 248 B9R1.69 CC1=CC(=C(C=C1)N)C D105631 [0,0,0,0,0,1|2,0,1]=4 249 B9R1.69 CC1=CC(=C(C=C1)N)C D105632 [0,0,0,0,0,1|2,0,1]=4 250 B9R1.69 CC1=CC(=C(C=C1)N)C D154317 [0,0,0,0,0,1|2,0,1]=4 251 B9R1.69 CC1=CC(=C(C=C1)O)C D112715 [0,0,0,0,0,1|1,0,2]=4 252 B9R1.69 CC1=CC(=C(C=C1)O)C D117387 [0,0,0,0,0,1|1,0,2]=4 253 B9R1.69 CC1=CC(=C(C=C1)O)C D472061 [0,0,0,0,0,1|1,0,2]=4 254 B9R1.69 CC1=CC(=C(C=C1)S)C D101774 [0,0,0,0,0,1|1,1,1]=4 255 B9R1.69 CC1=CC(=C(N=C1)Br)C B188354 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.69 CC1=CC(=C(N=C1)C)C C109929 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.69 CC1=CC(=C(N=C1)N)C D193349 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.69 CC1=CC(=CNC1=O)Br B121809 [0,0,0,0,0,1|2,0,1]=4 259 B9R1.69 CC1=CC(=O)C=CC1=O I135188 [0,0,0,0,0,1|2,0,1]=4 260 B9R1.69 CC1=CN=C(C(=N1)C)C T106601 [0,0,0,0,0,1|2,0,1]=4 261 B9R1.69 CC1=CN=C(C(=N1)C)Cl C153710 [0,0,0,0,0,1|2,0,1]=4 262 B9R1.69 CC1=CNC(=O)C(=C1)Br B131796 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.69 CC1=CNC(=O)C(=C1)I I169502 [0,0,0,0,0,1|2,0,1]=4 264 B9R1.69 CC1=NC(=C(C=C1)Br)C B138700 [0,0,0,0,0,1|2,0,1]=4 265 B9R1.69 CC1=NC(=C(C=C1)N)C A121811 [0,0,0,0,0,1|2,0,1]=4 266 B9R1.69 CC1C(=O)NCC(=O)N1 C184604 [0,0,0,0,0,1|2,0,1]=4 267 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,0,0,0,0,1|1,0,2]=4 268 B9R1.69 CC1CN(CCC1=O)C D154313 [0,0,0,0,0,1|2,0,1]=4 269 B9R1.69 CC1CNC(=O)NC1=O D304423 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.69 CC1CNC(=O)NC1=O D425573 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.69 CN1C(=O)C=CC(=N1)Br B478595 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.69 CN1C=C(C=CC1=O)Br B151901 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.69 CN1C=CC(=CC1=O)Br B175731 [0,0,0,0,0,1|3,0,0]=4 274 B6R0.1 CC=CC(=O)OC M109486 [1,0,1,0,0,0|1,0,0]=3 275 B6R0.1 CCC(=O)C=CC E404567 [1,0,1,0,0,0|0,0,0]=2 276 B6R0.1 CCC(=O)C=CC H111425 [1,0,1,0,0,0|0,0,0]=2 277 B6R0.1 CCC(=O)OC=C V162937 [1,0,1,0,0,0|1,0,1]=4 278 B6R0.1 CCC(=O)OCC E103457 [1,0,1,0,0,0|1,0,1]=4 279 B6R0.1 CCC(=O)OCC E103458 [1,0,1,0,0,0|1,0,1]=4 280 B6R0.1 CCC(=O)OCC E103459 [1,0,1,0,0,0|1,0,1]=4 281 B6R0.1 CCC(=O)OCC E103460 [1,0,1,0,0,0|1,0,1]=4 282 B6R0.1 CCC(=O)OCC E278958 [1,0,1,0,0,0|1,0,1]=4 283 B6R0.1 CCC(=O)SCC S133123 [1,0,1,0,0,0|1,0,1]=4 284 B6R0.1 CCC=C(C)C=O M102187 [1,0,1,0,0,0|1,0,0]=3 285 B6R0.1 CCCC(=O)CC H106710 [1,0,1,0,0,0|0,0,2]=4 286 B6R0.1 CCCC(C)C=O M158691 [1,0,1,0,0,0|1,0,1]=4 287 B6R0.1 CCNC(=O)C=C N136947 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.1 CCOC(=NO)C E124202 [1,0,1,0,0,0|1,0,1]=4 289 B6R0.1 CCOC(=O)C=C E112943 [1,0,1,0,0,0|1,0,0]=3 290 B6R0.1 CCOC(=O)C=C E112944 [1,0,1,0,0,0|1,0,0]=3 291 B6R0.1 CCOC(=O)C=C E112945 [1,0,1,0,0,0|1,0,0]=3 292 B6R0.1 CCOC(=O)C=C E465763 [1,0,1,0,0,0|1,0,0]=3 293 B6R0.1 CCOC(=O)C=O E106246 [1,0,1,0,0,0|1,0,0]=3 294 B6R0.1 CCOC(=O)CO E101730 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.1 COC(=O)C=CI E589680 [1,0,1,0,0,0|2,0,0]=4 296 B6R0.2 CC(=C)OC(=O)C I108612 [1,0,1,0,0,0|0,0,1]=3 297 B6R0.2 CC(=CC(=O)C)C M105926 [1,0,1,0,0,0|1,0,0]=3 298 B6R0.2 CC(=CC(=O)C)C M105927 [1,0,1,0,0,0|1,0,0]=3 299 B6R0.2 CC(=CC(=O)C)C M105928 [1,0,1,0,0,0|1,0,0]=3 300 B6R0.2 CC(=CC(=O)C)N F156686 [1,0,1,0,0,0|1,0,0]=3 301 B6R0.2 CC(=CC(=O)C)O A118525 [1,0,1,0,0,0|0,0,0]=2 302 B6R0.2 CC(=CC(=O)C)O A118538 [1,0,1,0,0,0|0,0,0]=2 303 B6R0.2 CC(=CC(=O)C)O A579873 [1,0,1,0,0,0|0,0,0]=2 304 B6R0.2 CC(=CC(=O)C)O B152272 [1,0,1,0,0,0|0,0,0]=2 305 B6R0.2 CC(=CC(=O)C)O C109323 [1,0,1,0,0,0|0,0,0]=2 306 B6R0.2 CC(=CC(=O)C)O C140817 [1,0,1,0,0,0|0,0,0]=2 307 B6R0.2 CC(=CC(=O)C)O C283471 [1,0,1,0,0,0|0,0,0]=2 308 B6R0.2 CC(=CC(=O)C)O C486854 [1,0,1,0,0,0|0,0,0]=2 309 B6R0.2 CC(=CC(=O)C)O D302912 [1,0,1,0,0,0|0,0,0]=2 310 B6R0.2 CC(=CC(=O)C)O E302901 [1,0,1,0,0,0|0,0,0]=2 311 B6R0.2 CC(=CC(=O)C)O E347622 [1,0,1,0,0,0|0,0,0]=2 312 B6R0.2 CC(=CC(=O)C)O G304265 [1,0,1,0,0,0|0,0,0]=2 313 B6R0.2 CC(=CC(=O)C)O H107857 [1,0,1,0,0,0|0,0,0]=2 314 B6R0.2 CC(=CC(=O)C)O I138305 [1,0,1,0,0,0|0,0,0]=2 315 B6R0.2 CC(=CC(=O)C)O I294571 [1,0,1,0,0,0|0,0,0]=2 316 B6R0.2 CC(=CC(=O)C)O M106182 [1,0,1,0,0,0|0,0,0]=2 317 B6R0.2 CC(=CC(=O)C)O P101065 [1,0,1,0,0,0|0,0,0]=2 318 B6R0.2 CC(=CC(=O)C)O P119025 [1,0,1,0,0,0|0,0,0]=2 319 B6R0.2 CC(=CC(=O)C)O P119026 [1,0,1,0,0,0|0,0,0]=2 320 B6R0.2 CC(=CC(=O)C)O P293928 [1,0,1,0,0,0|0,0,0]=2 321 B6R0.2 CC(=CC(=O)C)O R118502 [1,0,1,0,0,0|0,0,0]=2 322 B6R0.2 CC(=CC(=O)C)O R118539 [1,0,1,0,0,0|0,0,0]=2 323 B6R0.2 CC(=CC(=O)C)O R118540 [1,0,1,0,0,0|0,0,0]=2 324 B6R0.2 CC(=CC(=O)C)O R294372 [1,0,1,0,0,0|0,0,0]=2 325 B6R0.2 CC(=CC(=O)C)O R639975 [1,0,1,0,0,0|0,0,0]=2 326 B6R0.2 CC(=CC(=O)C)O S298504 [1,0,1,0,0,0|0,0,0]=2 327 B6R0.2 CC(=CC(=O)C)O T283063 [1,0,1,0,0,0|0,0,0]=2 328 B6R0.2 CC(=CC(=O)C)O T302818 [1,0,1,0,0,0|0,0,0]=2 329 B6R0.2 CC(=CC(=O)C)O T302908 [1,0,1,0,0,0|0,0,0]=2 330 B6R0.2 CC(=CC(=O)C)O V109324 [1,0,1,0,0,0|0,0,0]=2 331 B6R0.2 CC(=CC(=O)C)O V109325 [1,0,1,0,0,0|0,0,0]=2 332 B6R0.2 CC(=CC(=O)C)O Y191992 [1,0,1,0,0,0|0,0,0]=2 333 B6R0.2 CC(=CC(=O)C)O Y283039 [1,0,1,0,0,0|0,0,0]=2 334 B6R0.2 CC(=CC(=O)C)[O-] B107855 [1,0,1,0,0,0|0,0,1]=3 335 B6R0.2 CC(=CC(=O)C)[O-] B109340 [1,0,1,0,0,0|0,0,1]=3 336 B6R0.2 CC(=CC(=O)C)[O-] B152965 [1,0,1,0,0,0|0,0,1]=3 337 B6R0.2 CC(=CC(=O)C)[O-] B283467 [1,0,1,0,0,0|0,0,1]=3 338 B6R0.2 CC(=CC(=O)C)[O-] C100527 [1,0,1,0,0,0|0,0,1]=3 339 B6R0.2 CC(=CC(=O)C)[O-] C432320 [1,0,1,0,0,0|0,0,1]=3 340 B6R0.2 CC(=CC(=O)C)[O-] H302906 [1,0,1,0,0,0|0,0,1]=3 341 B6R0.2 CC(=CC(=O)C)[O-] I106157 [1,0,1,0,0,0|0,0,1]=3 342 B6R0.2 CC(=CC(=O)C)[O-] L102502 [1,0,1,0,0,0|0,0,1]=3 343 B6R0.2 CC(=CC(=O)C)[O-] M107860 [1,0,1,0,0,0|0,0,1]=3 344 B6R0.2 CC(=CC(=O)C)[O-] N105676 [1,0,1,0,0,0|0,0,1]=3 345 B6R0.2 CC(=CC(=O)C)[O-] N107859 [1,0,1,0,0,0|0,0,1]=3 346 B6R0.2 CC(=CC(=O)C)[O-] N359157 [1,0,1,0,0,0|0,0,1]=3 347 B6R0.2 CC(=CC(=O)C)[O-] S488282 [1,0,1,0,0,0|0,0,1]=3 348 B6R0.2 CC(=CC(=O)C)[O-] T161967 [1,0,1,0,0,0|0,0,1]=3 349 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [1,0,1,0,0,0|0,0,1]=3 350 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [1,0,1,0,0,0|0,0,1]=3 351 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [1,0,1,0,0,0|0,0,1]=3 352 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [1,0,1,0,0,0|0,0,1]=3 353 B6R0.2 CC(=CC(=O)Cl)C D135082 [1,0,1,0,0,0|2,0,0]=4 354 B6R0.2 CC(=CC(=O)O)C D102028 [1,0,1,0,0,0|2,0,0]=4 355 B6R0.2 CC(=O)CC(=O)C A110366 [1,0,1,0,0,0|0,0,2]=4 356 B6R0.2 CC(=O)CC(=O)C A110367 [1,0,1,0,0,0|0,0,2]=4 357 B6R0.2 CC(=O)CC(=O)C A110370 [1,0,1,0,0,0|0,0,2]=4 358 B6R0.2 CC(=O)OC(=O)C A302240 [1,0,1,0,0,0|1,0,1]=4 359 B6R0.2 CC(=O)OC(=O)C A474130 [1,0,1,0,0,0|1,0,1]=4 360 B6R0.2 CC(=O)SC(=O)C A151355 [1,0,1,0,0,0|1,0,1]=4 361 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [1,0,1,0,0,0|0,0,2]=4 362 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [1,0,1,0,0,0|0,0,2]=4 363 B6R0.2 CC(C)OC(=O)C I103453 [1,0,1,0,0,0|1,0,1]=4 364 B6R0.2 CC(C)OC(=O)C I103454 [1,0,1,0,0,0|1,0,1]=4 365 B6R0.2 CC(C)OC(=O)C I103455 [1,0,1,0,0,0|1,0,1]=4 366 B6R0.2 CC(OC(=O)C)Br B303662 [1,0,1,0,0,0|2,0,0]=4 367 B6R0.4 C(C=CC(=O)O)Br B152770 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.4 C(C=CC(=O)O)O T341890 [1,0,1,0,0,0|2,0,0]=4 369 B6R0.4 CC(=O)C=COC M113467 [1,0,1,0,0,0|1,0,1]=4 370 B6R0.4 CC(=O)C=COC M434875 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.4 CC(=O)OCC=C A107305 [1,0,1,0,0,0|2,0,0]=4 372 B6R0.4 CC=CCC(=O)O P165142 [1,0,1,0,0,0|2,0,0]=4 373 B6R0.4 CCC=CC(=O)O T162309 [1,0,1,0,0,0|1,0,0]=3 374 B6R0.4 CCOCC(=O)Cl E293992 [1,0,1,0,0,0|1,0,1]=4 375 B6R0.4 CCOCC(=O)O E156174 [1,0,1,0,0,0|1,0,1]=4 376 B6R0.3 CC(=O)N(C)OC N159405 [1,0,1,0,0,0|1,0,1]=4 377 B6R0.3 CC(C(=O)NC)N L354750 [1,0,1,0,0,0|2,0,0]=4 378 B6R0.3 CC(C(=O)O)NC I133832 [1,0,1,0,0,0|2,0,0]=4 379 B6R0.3 CC(C(=O)O)NC I135858 [1,0,1,0,0,0|2,0,0]=4 380 B6R0.3 CC(C(=O)O)NC N303350 [1,0,1,0,0,0|2,0,0]=4 381 B6R0.3 CC(C(=O)O)OC M193402 [1,0,1,0,0,0|1,0,0]=3 382 B6R0.3 CC(C(=O)O)OC P477810 [1,0,1,0,0,0|1,0,0]=3 383 B6R0.3 CC(C(=O)OC)Br M117975 [1,0,1,0,0,0|2,0,0]=4 384 B6R0.3 CC(C(=O)OC)Cl M102467 [1,0,1,0,0,0|2,0,0]=4 385 B6R0.3 CC(C(=O)OC)Cl M110142 [1,0,1,0,0,0|2,0,0]=4 386 B6R0.3 CC(C(=O)OC)Cl M158574 [1,0,1,0,0,0|2,0,0]=4 387 B6R0.3 CC(C(=O)OC)N A100771 [1,0,1,0,0,0|2,0,0]=4 388 B6R0.3 CC(C(=O)OC)N A100815 [1,0,1,0,0,0|2,0,0]=4 389 B6R0.3 CC(C(=O)OC)N A116955 [1,0,1,0,0,0|2,0,0]=4 390 B6R0.3 CC(C(=O)OC)O M132799 [1,0,1,0,0,0|1,0,0]=3 391 B6R0.3 CC(C(=O)OC)O M158257 [1,0,1,0,0,0|1,0,0]=3 392 B6R0.3 CC(C(=O)OC)O M158854 [1,0,1,0,0,0|1,0,0]=3 393 B6R0.3 CC(C)C(=O)OC M100041 [1,0,1,0,0,0|2,0,0]=4 394 B6R0.3 CC(C=C)C(=O)O M404731 [1,0,1,0,0,0|1,0,1]=4 395 B6R0.3 CC=C(C)C(=O)C M158812 [1,0,1,0,0,0|0,0,2]=4 396 B6R0.3 CC=C(C)C(=O)C M401547 [1,0,1,0,0,0|0,0,2]=4 397 B6R0.3 CC=C(C)C(=O)Cl T161611 [1,0,1,0,0,0|1,0,1]=4 398 B6R0.3 CC=C(C)C(=O)O B137277 [1,0,1,0,0,0|1,0,1]=4 399 B6R0.3 CC=C(C)C(=O)O T107164 [1,0,1,0,0,0|1,0,1]=4 400 B6R0.3 CC=C(C)C(C)C C153480 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.3 CCC(=O)C(C)C M158840 [1,0,1,0,0,0|1,0,1]=4 402 B6R0.3 CCC(C)C(=O)C M158800 [1,0,1,0,0,0|0,0,2]=4 403 B6R0.3 CCC(C)C(=O)O I167890 [1,0,1,0,0,0|1,0,1]=4 404 B6R0.3 CCC(C)C(=O)O M107377 [1,0,1,0,0,0|1,0,1]=4 405 B6R0.3 CN(C)C(=O)C=C N159036 [1,0,1,0,0,0|2,0,0]=4 406 B6R0.6 CC=CC=CC=O H156882 [1,0,1,0,0,0|1,0,1]=4 407 B6R0.6 CCCC=CC=O H107633 [1,0,1,0,0,0|1,0,0]=3 408 B6R0.6 CCCC=CC=O T425385 [1,0,1,0,0,0|1,0,0]=3 409 B6R0.6 CCOC=CC#N E156406 [1,0,1,0,0,0|1,0,1]=4 410 B6R1.2 C1=C(ON=C1)N I587306 [2,0,0,0,0,0|2,0,0]=4 411 B6R1.2 C1=CNNC1=O H173741 [2,0,0,0,0,0|2,0,0]=4 412 B6R1.2 C1=COC(=C1)Br B152379 [2,0,0,0,0,0|1,0,1]=4 413 B6R1.2 C1=COC=C1Br B123116 [2,0,0,0,0,0|1,0,1]=4 414 B6R1.2 C1=CON=C1Br B481858 [2,0,0,0,0,0|2,0,0]=4 415 B6R1.2 C1=CON=C1N A124591 [2,0,0,0,0,0|2,0,0]=4 416 B6R1.2 C1C=CC(=O)N1 D344952 [2,0,0,0,0,0|2,0,0]=4 417 B6R1.2 C1C=CC(=O)O1 F107943 [2,0,0,0,0,0|1,0,0]=3 418 B6R1.2 C1C=CC(=O)S1 H472400 [2,0,0,0,0,0|1,1,0]=4 419 B6R1.2 C1CC(=O)C=C1 C139450 [2,0,0,0,0,0|1,0,0]=3 420 B6R1.2 C1COCC1=O T161567 [2,0,0,0,0,0|0,0,2]=4 421 B6R1.2 CC1=CC=CN1 M185725 [2,0,0,0,0,0|1,0,1]=4 422 B6R1.2 CC1=CC=CO1 M110932 [2,0,0,0,0,0|0,0,1]=3 423 B6R1.2 CC1=CC=CS1 M109554 [2,0,0,0,0,0|0,1,1]=4 424 B6R1.2 CC1=CC=NN1 M108005 [2,0,0,0,0,0|2,0,0]=4 425 B6R1.2 CC1=CC=NO1 M158646 [2,0,0,0,0,0|1,0,0]=3 426 B6R1.2 CC1=CCCC1 M158230 [2,0,0,0,0,0|1,0,1]=4 427 B6R1.2 CC1=CNC=C1 M139090 [2,0,0,0,0,0|2,0,0]=4 428 B6R1.2 CC1=COC=C1 M158541 [2,0,0,0,0,0|1,0,1]=4 429 B6R1.2 CC1=CSC=C1 M113676 [2,0,0,0,0,0|2,0,0]=4 430 B6R1.2 CC1=NCCO1 M158497 [2,0,0,0,0,0|1,0,1]=4 431 B6R1.2 CN1C=CC=C1 M100701 [2,0,0,0,0,0|2,0,0]=4 432 B6R1.2 CN1C=CC=N1 M107967 [2,0,0,0,0,0|2,0,0]=4 433 B8R0.5 CCOC(=O)C=C(C)C E156154 [0,1,1,0,0,0|1,0,0]=3 434 B8R0.5 CCOC(=O)C=C(C)N E101139 [0,1,1,0,0,0|1,0,0]=3 435 B8R0.5 CCOC(=O)C=C(C)N E136853 [0,1,1,0,0,0|1,0,0]=3 436 B8R0.5 CCOC(=O)CC(=O)C E103937 [0,1,1,0,0,0|0,0,2]=4 437 B8R0.5 CCOC(=O)CC(=O)C E103939 [0,1,1,0,0,0|0,0,2]=4 438 B8R0.5 CCOC(=O)CC(=O)C E474098 [0,1,1,0,0,0|0,0,2]=4 439 B8R0.5 CCOC(=O)CC(=O)O M158864 [0,1,1,0,0,0|1,0,1]=4 440 B8R0.5 CCOC(=O)CC(C)O E101452 [0,1,1,0,0,0|0,0,2]=4 441 B8R0.5 CCOC(=O)CC(C)O E118391 [0,1,1,0,0,0|0,0,2]=4 442 B8R0.5 CCOC(=O)CC(C)O E156467 [0,1,1,0,0,0|0,0,2]=4 443 B8R0.5 CCO\C(=C\C(=O)C)\[O-] A354450 [0,1,1,0,0,0|0,0,2]=4 444 B8R0.19 CC(=CC(=O)OC)NC M167026 [0,1,1,0,0,0|2,0,0]=4 445 B8R0.19 CC(=CC(=O)OC)OC E170426 [0,1,1,0,0,0|1,0,0]=3 446 B8R0.19 CCC(=O)CC(=O)CC H102410 [0,1,1,0,0,0|0,0,2]=4 447 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,1,1,0,0,0|0,0,2]=4 448 B8R0.19 CCC(=O)OC(=O)CC P106800 [0,1,1,0,0,0|1,0,1]=4 449 B8R0.19 CCC(=O)OC(=O)CC P137907 [0,1,1,0,0,0|1,0,1]=4 450 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [0,1,1,0,0,0|1,0,0]=3 451 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [0,1,1,0,0,0|1,0,0]=3 452 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [0,1,1,0,0,0|1,0,0]=3 453 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [0,1,1,0,0,0|2,0,0]=4 454 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [0,1,1,0,0,0|2,0,0]=4 455 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [0,1,1,0,0,0|2,0,0]=4 456 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [0,1,1,0,0,0|2,0,0]=4 457 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,1,1,0,0,0|1,0,0]=3 458 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,1,1,0,0,0|1,0,0]=3 459 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,1,1,0,0,0|1,0,0]=3 460 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,1,1,0,0,0|2,0,0]=4 461 B8R0.3 CCC(C(=O)OCC)O E156260 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.3 CCC(C)C(=O)C=CC W136042 [0,1,1,0,0,0|1,0,0]=3 463 B8R0.3 CCOC(=O)C(CCl)O E357552 [0,1,1,0,0,0|1,0,1]=4 464 B8R0.8 CC(C(=O)NCCO)O N158965 [0,1,1,0,0,0|1,0,1]=4 465 B8R0.8 CCCOC(=O)C(C)O P160122 [0,1,1,0,0,0|0,0,2]=4 466 B8R0.14 CCOC(=O)C(C)(C)O E111355 [0,1,1,0,0,0|1,0,1]=4 467 B8R0.1 CCOC(=O)C=CC=O E189100 [0,1,1,0,0,0|1,0,0]=3 468 B8R0.1 CCOC(=O)C=CCBr E113754 [0,1,1,0,0,0|2,0,0]=4 469 B8R0.1 CCOC(=O)C=CCBr E589630 [0,1,1,0,0,0|2,0,0]=4 470 B8R0.1 CCOC(=O)CNC=O N159320 [0,1,1,0,0,0|1,0,1]=4 471 B8R1.1 C1=C(ONC1=O)CN M355331 [1,1,0,0,0,0|1,0,0]=3 472 B8R1.1 CC1=CC(=NO1)C=O M171227 [1,1,0,0,0,0|1,0,0]=3 473 B8R1.1 CC1=CC(=NO1)CO M136270 [1,1,0,0,0,0|1,0,1]=4 474 B8R1.1 CC1=CC=C(O1)C=O M102952 [1,1,0,0,0,0|0,0,2]=4 475 B8R1.1 CC1=CC=C(O1)C=O M425132 [1,1,0,0,0,0|0,0,2]=4 476 B8R1.1 CC1=CC=C(O1)CN M158539 [1,1,0,0,0,0|0,0,1]=3 477 B8R1.1 CC1=CC=C(O1)CO M189133 [1,1,0,0,0,0|0,0,1]=3 478 B8R1.1 CC1=CC=C(O1)SC M133227 [1,1,0,0,0,0|0,0,1]=3 479 B8R1.1 CC1=CSC(=C1)C=O M171140 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.1 CC1=NC(=CO1)C=O W132350 [1,1,0,0,0,0|1,0,1]=4 481 B8R1.1 CN1C=CC(=N1)CN M589648 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.1 CN1C=CC(=N1)CO M177588 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.1 COC1=CC(=O)CC1 M170478 [1,1,0,0,0,0|1,0,0]=3 484 B8R1.1 COC1=CC(=O)NC1 M194648 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.50 C1C(=C(C(=O)O1)Br)Br D167417 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.50 CC1=C(C(=NO1)C)Br B123097 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.50 CC1=C(C(=NO1)C)I I122966 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.50 CC1=C(C(=O)CC1)O H139285 [1,1,0,0,0,0|1,0,0]=3 490 B8R1.50 CC1=C(C(=O)CO1)O H120034 [1,1,0,0,0,0|0,0,0]=2 491 B8R1.50 CC1=C(ON=C1N)C A132129 [1,1,0,0,0,0|2,0,0]=4 492 B8R1.50 CC1=CC=C(N1C)C T161834 [1,1,0,0,0,0|1,0,1]=4 493 B8R1.50 CC1CCC(=O)C1=O M109224 [1,1,0,0,0,0|1,0,1]=4 494 B8R1.51 CC1(CC(=O)C=C1)C D168778 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.11 CC1=C(C=CO1)SC M102940 [1,1,0,0,0,0|0,1,1]=4 496 B8R1.11 CN1C(=CC=N1)C=O M138592 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.11 CN1C=CC=C1C=O M158153 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.8 CC1=CC(=CC(=C1)C=O)C D155984 [0,1,0,0,0,1|1,0,1]=4 499 B10R1.8 CC1=CC(=CC(=O)O1)OC M352828 [0,1,0,0,0,1|1,0,1]=4 500 B10R1.22 CC1=CC(=O)C=C(C1=O)C D103052 [0,1,0,0,0,1|1,0,1]=4 501 B10R1.329 CC1(CC(=CC(=O)C1)N)C A151687 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.329 CC1(OC(=O)CC(=O)O1)C M110151 [0,1,0,0,0,1|1,0,1]=4 503 B10R1.329 CC1=CC(=O)CC(C1)(C)C I110612 [0,1,0,0,0,1|1,0,0]=3 504 B10R1.329 CC1=CC(=O)CC(C1)(C)C I425954 [0,1,0,0,0,1|1,0,0]=3 505 B10R1.329 CC1=CC(=O)OC(O1)(C)C T111122 [0,1,0,0,0,1|0,0,0]=2 506 B10R1.329 CC1=CC(=O)[N-]S(=O)(=O)O1 A113941 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.329 CC1=CC(=O)[N-]S(=O)(=O)O1 A113942 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.329 CC1=CC(=O)[N-]S(=O)(=O)O1 A349848 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.25 CC1=CC(=C(C=C1)C=O)C D103125 [0,1,0,0,0,1|1,0,1]=4 510 B10R1.30 CC1=CC(=C(C=C1)C)C=O D301675 [0,1,0,0,0,1|1,0,1]=4 511 B10R1.118 CC1=CC(=O)C(=CC1=O)C P160273 [0,1,0,0,0,1|1,0,1]=4 512 B10R1.118 CC1C(=O)OC(C(=O)O1)C D190506 [0,1,0,0,0,1|1,0,1]=4 513 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133293 [0,1,0,0,0,1|1,0,1]=4 514 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133294 [0,1,0,0,0,1|1,0,1]=4 515 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133295 [0,1,0,0,0,1|1,0,1]=4 516 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133296 [0,1,0,0,0,1|1,0,1]=4 517 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133297 [0,1,0,0,0,1|1,0,1]=4 518 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133342 [0,1,0,0,0,1|1,0,1]=4 519 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133343 [0,1,0,0,0,1|1,0,1]=4 520 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134385 [0,1,0,0,0,1|1,0,1]=4 521 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134386 [0,1,0,0,0,1|1,0,1]=4 522 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134564 [0,1,0,0,0,1|1,0,1]=4 523 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134565 [0,1,0,0,0,1|1,0,1]=4 524 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134566 [0,1,0,0,0,1|1,0,1]=4 525 B10R1.118 CC1C(=O)OC(C(=O)O1)C P136520 [0,1,0,0,0,1|1,0,1]=4 526 B10R1.118 CC1C(=O)OC(C(=O)O1)C P136521 [0,1,0,0,0,1|1,0,1]=4 527 B10R1.118 CC1C(=O)OC(C(=O)O1)C P136522 [0,1,0,0,0,1|1,0,1]=4 528 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299052 [0,1,0,0,0,1|1,0,1]=4 529 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299054 [0,1,0,0,0,1|1,0,1]=4 530 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299055 [0,1,0,0,0,1|1,0,1]=4 531 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299056 [0,1,0,0,0,1|1,0,1]=4 532 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299057 [0,1,0,0,0,1|1,0,1]=4 533 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299354 [0,1,0,0,0,1|1,0,1]=4 534 B10R1.118 CC1C(=O)OC(C(=O)O1)C R432516 [0,1,0,0,0,1|1,0,1]=4 535 B10R1.118 CC1C(=O)OC(C(=O)O1)C R432519 [0,1,0,0,0,1|1,0,1]=4 536 B10R1.118 CC1C(=O)OC(C(=O)O1)C R432524 [0,1,0,0,0,1|1,0,1]=4 537 B10R1.118 CC1C(=O)OC(C(=O)O1)C S161079 [0,1,0,0,0,1|1,0,1]=4 538 B10R1.118 CC1C(=O)OC(C(=O)O1)C S161100 [0,1,0,0,0,1|1,0,1]=4 539 B10R1.176 C1=C(OC=C(C1=O)O)CO K105452 [0,1,0,0,0,1|1,0,1]=4 540 B10R1.176 C1=C(OC=C(C1=O)O)CO K140848 [0,1,0,0,0,1|1,0,1]=4 541 B10R1.176 C1=C(OC=C(C1=O)O)CO K424322 [0,1,0,0,0,1|1,0,1]=4 542 B10R1.34 CCC1=C(C(=O)C(O1)C)O E169207 [0,2,0,0,0,0|0,0,0]=2 543 B10R1.34 CCC1C(=C(C(=O)O1)O)C E120045 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.34 CCC1C(=O)C(=C(O1)C)O E135752 [0,2,0,0,0,0|0,0,0]=2 545 B10R1.59 CC1=CC(=C(O1)C)C(=O)C A151396 [0,2,0,0,0,0|0,0,1]=3 546 B10R1.59 CC1=CC(=C(O1)C)C(=O)O D154957 [0,2,0,0,0,0|0,0,1]=3 547 B10R1.59 CC1=CC(=C(S1)C)C(=O)C A113373 [0,2,0,0,0,0|0,1,1]=4 548 B10R1.59 CC1=NN(C(=C1)C(=O)O)C D139018 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.130 CCOC1C(=CC(=O)O1)Br B588744 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.256 CC1C(=O)C(=C(O1)C)OC D102541 [0,2,0,0,0,0|0,0,0]=2 551 B10R1.271 CC1(C(=O)N(C(=O)O1)C)C T337770 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.271 CC1(C(=O)N(C(=O)O1)C)C T421129 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.560 CC1(CC(=O)C(O1)(C)C)C D341154 [0,2,0,0,0,0|0,0,2]=4 554 B10R1.191 CC1C(=C(C(=C1C)C)C)C P133431 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.191 CC1C(C(=O)C(=C1C)C)C T138974 [0,2,0,0,0,0|1,0,0]=3 556 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,0,1,1,0,0|1,0,0]=3 557 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,0,1,1,0,0|0,0,2]=4 558 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [0,0,1,1,0,0|1,0,1]=4 559 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,0,1,1,0,0|1,0,1]=4 560 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,0,1,1,0,0|1,0,1]=4 561 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,0,1,1,0,0|1,0,0]=3 562 B8R1.4 CC1=CC(CCC1)O M168575 [0,0,1,1,0,0|1,0,1]=4 563 B8R1.4 CC1CC(=O)CCO1 M172463 [0,0,1,1,0,0|0,0,2]=4 564 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,0,1,1,0,0|1,0,1]=4 565 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,0,1,1,0,0|0,0,2]=4 566 B8R1.7 C1CC(OC1)C(=O)N S469270 [0,0,1,1,0,0|1,0,1]=4 567 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,0,1,1,0,0|1,0,1]=4 568 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,0,1,1,0,0|1,0,1]=4 569 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,0,1,1,0,0|1,0,1]=4 570 B8R1.7 CC(C)C1=[C-]CC=C1 B283047 [0,0,1,1,0,0|2,0,0]=4 571 B8R1.7 CC(C1=CC=CO1)O R588542 [0,0,1,1,0,0|0,0,2]=4 572 B8R1.7 CC(C1=CC=CO1)O x170274 [0,0,1,1,0,0|0,0,2]=4 573 B8R1.37 CCOC(=O)C1CO1 E138878 [0,0,1,1,0,0|1,0,1]=4 574 B8R2.34 C1CC2CC1C=C2 B109700 [1,0,0,1,0,0|1,0,1]=4 575 B10R2.178 C1C2C=CC(=O)C(O1)O2 L130870 [0,0,0,1,0,1|1,0,1]=4 576 B10R2.25 C=C1C2CCC(C2)C1=O M158868 [0,1,0,1,0,0|1,0,1]=4 577 B6R1.5 CC1CC(=O)O1 B152852 [1,0,0,0,1,0|0,0,2]=4 578 B8R0.9 CC(=O)C=CC(=O)OC M157976 [0,0,1,0,0,1|1,0,1]=4 579 B8R0.9 CC(=O)C=CC(=O)OC M464501 [0,0,1,0,0,1|1,0,1]=4 580 B8R0.9 CCC(=CCC(=O)O)C M193916 [0,0,1,0,0,1|2,0,0]=4 581 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,0,1,0,0,1|1,0,1]=4 582 B8R0.9 CNC(=O)C=CC(=O)O N159546 [0,0,1,0,0,1|2,0,0]=4 583 B8R0.9 COC(=O)C=CC(=O)O M158075 [0,0,1,0,0,1|2,0,0]=4 584 B8R0.9 COC(=O)C=CC(=O)O M158861 [0,0,1,0,0,1|2,0,0]=4 585 B8R0.9 COC(=O)C=CC(=O)O M422970 [0,0,1,0,0,1|2,0,0]=4 586 B8R1.3 C1C(=O)C=CC(O1)O H192951 [1,0,0,0,0,1|1,0,1]=4 587 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [1,0,0,0,0,1|1,0,1]=4 588 B8R1.3 CC1=CC=C(C=C1)C X103333 [1,0,0,0,0,1|1,0,1]=4 589 B8R1.3 CC1=CC=C(C=C1)C X103334 [1,0,0,0,0,1|1,0,1]=4 590 B8R1.3 CC1=CC=C(C=C1)C X103336 [1,0,0,0,0,1|1,0,1]=4 591 B8R1.3 CC1=CC=C(C=C1)C X103338 [1,0,0,0,0,1|1,0,1]=4 592 B8R1.3 CC1=CC=C(C=C1)C X103339 [1,0,0,0,0,1|1,0,1]=4 593 B8R1.3 CC1=CC=C(C=C1)C X103342 [1,0,0,0,0,1|1,0,1]=4 594 B8R1.3 CC1=CC=C(C=C1)C X119715 [1,0,0,0,0,1|1,0,1]=4 595 B8R1.3 CC1=CC=C(C=C1)C X128149 [1,0,0,0,0,1|1,0,1]=4 596 B8R1.3 CC1=CC=[N+](C=C1)C D588274 [1,0,0,0,0,1|2,0,0]=4 597 B8R1.3 CC1=CN=C(C=C1)C L111803 [1,0,0,0,0,1|1,0,1]=4 598 B8R1.3 CC1=CNC(=O)C=C1 H107715 [1,0,0,0,0,1|1,0,1]=4 599 B8R1.3 CC1=CNC(=O)C=N1 M191984 [1,0,0,0,0,1|1,0,1]=4 600 B8R1.3 CC1=NN=C(C=C1)C D587537 [1,0,0,0,0,1|1,0,1]=4 601 B8R1.3 CC1=NNC(=O)C=C1 M157846 [1,0,0,0,0,1|2,0,0]=4 602 B8R1.3 CC1=NNC(=O)CC1 D135167 [1,0,0,0,0,1|2,0,0]=4